This proposal requests a micro supercomputer capable of vector processing which will be dedicated to computationally intensive tasks directed at improving our understanding of biological molecules. Structural, energetic and dynamic properties of organic molecules and macromolecules will be examined by computational methods. The structural work will focus in particular on the incorporation of 2D NMR data into computer algorithms for optimising conformation by molecular mechanics and dynamics approaches. Ab initio calculations will be used to improve force fields in structure optimization routines, and to explore the relationship between molecular structure, reactivity and biological function.